Table 4.

Contributions to the total potential energy of model systems at 300K

#	Model name	<Ub>	<Ua>	<Ud>	<UVDW>	<Ue>	<Us>	<U>a)
1	pc13-0-0	2234	2779	1662	−344	−4436	−999	896
2	pc12-2-0-charge4b)	2304	2878	1803	−229	−4467	−2680	−391
2	pc12-2-0-charge4prpb)	2298	2903	1761	−271	−4478	−2664	−451
4	pc9-2-2-charge4	2752	3766	1684	−924	−2894	−3415	969
10	pc10-2-2-charge4	2993	3822	1834	−954	−3377	−3318	1000
14	pc12-1-1-charge2	2693	3433	1779	−650	−4157	−2081	1017
17	pc11-1-1-charge2	2579	3185	1656	−468	−3817	−2102	1033

^a)Units for the potential energy are kJ/mol;

^b)Position of the drug with respect to the polymer chains was varied (parallel and perpendicular alignment)